Cas no 1803808-90-3 (2-Difluoromethyl-5-(trifluoromethyl)benzonitrile)
1803808-90-3 structure
Product Name:2-Difluoromethyl-5-(trifluoromethyl)benzonitrile
CAS No:1803808-90-3
MF:C9H4F5N
MW:221.126779556274
CID:4705882
Update Time:2023-08-15
2-Difluoromethyl-5-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-Difluoromethyl-5-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)7-2-1-6(9(12,13)14)3-5(7)4-15/h1-3,8H
- InChI Key： HSKHVNHSAFHKGG-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(F)F)=C(C#N)C=1)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 263
- Topological Polar Surface Area: 23.8
2-Difluoromethyl-5-(trifluoromethyl)benzonitrile Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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